SCHEMBL8495268

SCHEMBL8495268

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=N)NC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 1/20 0.42
SPHK1 Q9NYA1 4/20 0.42
SPHK2 Q9NRA0 1/20 0.42
MGLL Q99685 1/20 0.39
DNM1 Q05193 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GBA1 P04062 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8498288 1.00 CA12 (0.42) CA12CA1CA9CA2SPHK1
SCHEMBL28905825 1.00 CA12 (0.42) CA12CA1CA9CA2SPHK1
SCHEMBL2954535 1.00 CA12 (0.42) CA12CA1CA9CA2SPHK1
SCHEMBL8499444 1.00 CA12 (0.42) CA12CA1CA9CA2SPHK1
SCHEMBL28415126 0.98 CA12 (0.41) CA12CA1CA9CA2SPHK1
Hydrochloric Acid SCHEMBL4483541 0.98 CA12 (0.41) CA12CA1CA9CA2SPHK1
Hydrochloric Acid SCHEMBL19371460 0.98 CA12 (0.41) CA12CA1CA9CA2SPHK1
SCHEMBL28417961 0.98 CA12 (0.41) CA12CA1CA9CA2SPHK1
Hydrochloric Acid SCHEMBL4484498 0.98 CA12 (0.41) CA12CA1CA9CA2SPHK1
SCHEMBL2955338 0.98 CA12 (0.39) CA12CA1CA9CA2SPHK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958894-A COMPLEX WITH NUCLEIC ACID, CELL ENTRY, DRUG DELIVERY MEGABIOS CORPORATION (US) 1999-09-28 US disclosed